Task 38681613

Name test_251-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8186_0
Workunit 31623273
Created 27 Oct 2026, 4:39:11 UTC
Sent 27 Oct 2026, 4:39:18 UTC
Report deadline 1 Nov 2026, 4:39:18 UTC
Received 27 Oct 2026, 5:34:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651312
Run time 18 min 21 sec
CPU time 17 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.33 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:16:02 (48032): wrapper (7.9.26016): starting
00:16:02 (48032): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
00:16:03 (48032): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:16:03 (48032): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
00:34:01 (48032): C:/Windows/system32/cmd.exe exited; CPU time 1051.015625
00:34:01 (48032): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 23255221 bytes.
Dumping objects ->
{3835289} normal block at 0x000002ADE7976690, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x000002ADE7976620, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000002ADE7976540, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835256} normal block at 0x000002ADE79765B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000002ADE7976310, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835214} normal block at 0x000002ADE97C5FD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000002ADE79CE7E0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835200} normal block at 0x000002ADE7971CE0, 8 bytes long.
 Data: <   &#232;&#173;   > 00 00 03 E8 AD 02 00 00 
{3834577} normal block at 0x000002ADE79CE640, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000002ADE7971470, 8 bytes long.
 Data: <&#240;&#168;}&#233;&#173;   > F0 A8 7D E9 AD 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002ADE7972430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002ADE79683F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000002ADE7977D50, 16 bytes long.
 Data: < m&#151;&#231;&#173;           > 08 6D 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002ADE7977030, 16 bytes long.
 Data: <&#224;l&#151;&#231;&#173;           > E0 6C 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002ADE7970C50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000002ADE79771C0, 16 bytes long.
 Data: <&#184;l&#151;&#231;&#173;           > B8 6C 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002ADE7977CB0, 16 bytes long.
 Data: < l&#151;&#231;&#173;           > 90 6C 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002ADE7977170, 16 bytes long.
 Data: <hl&#151;&#231;&#173;           > 68 6C 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002ADE7977760, 16 bytes long.
 Data: <@l&#151;&#231;&#173;           > 40 6C 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002ADE7976150, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000002ADE7977B70, 16 bytes long.
 Data: < &#181;&#149;&#231;&#173;           > 08 B5 95 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002ADE7970350, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000002ADE7976FE0, 16 bytes long.
 Data: <&#224;&#180;&#149;&#231;&#173;           > E0 B4 95 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002ADE7977620, 16 bytes long.
 Data: <&#184;&#180;&#149;&#231;&#173;           > B8 B4 95 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002ADE7976F90, 16 bytes long.
 Data: < &#180;&#149;&#231;&#173;           > 90 B4 95 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002ADE7977C60, 16 bytes long.
 Data: <h&#180;&#149;&#231;&#173;           > 68 B4 95 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002ADE7977530, 16 bytes long.
 Data: <@&#180;&#149;&#231;&#173;           > 40 B4 95 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002ADE7977D00, 16 bytes long.
 Data: < &#180;&#149;&#231;&#173;           > 18 B4 95 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002ADE79702F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000002ADE79773F0, 16 bytes long.
 Data: <&#240;&#179;&#149;&#231;&#173;           > F0 B3 95 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002ADE795B3F0, 320 bytes long.
 Data: <&#240;s&#151;&#231;&#173;   &#240; &#151;&#231;&#173;   > F0 73 97 E7 AD 02 00 00 F0 02 97 E7 AD 02 00 00 
{273} normal block at 0x000002ADE7976EF0, 16 bytes long.
 Data: < l&#151;&#231;&#173;           > 20 6C 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002ADE7977710, 16 bytes long.
 Data: <&#248;k&#151;&#231;&#173;           > F8 6B 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002ADE7970650, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000002ADE7977210, 16 bytes long.
 Data: <&#208;k&#151;&#231;&#173;           > D0 6B 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002ADE7970830, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000002ADE7976E50, 16 bytes long.
 Data: < k&#151;&#231;&#173;           > 18 6B 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002ADE7977850, 16 bytes long.
 Data: <&#240;j&#151;&#231;&#173;           > F0 6A 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002ADE79776C0, 16 bytes long.
 Data: <&#200;j&#151;&#231;&#173;           > C8 6A 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002ADE79775D0, 16 bytes long.
 Data: <&#160;j&#151;&#231;&#173;           > A0 6A 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002ADE79711F0, 16 bytes long.
 Data: <xj&#151;&#231;&#173;           > 78 6A 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002ADE7971060, 16 bytes long.
 Data: <Pj&#151;&#231;&#173;           > 50 6A 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002ADE79719C0, 16 bytes long.
 Data: <&#192;a&#151;&#231;&#173;           > C0 61 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002ADE79761C0, 40 bytes long.
 Data: <&#192; &#151;&#231;&#173;   &#208;_|&#233;&#173;   > C0 19 97 E7 AD 02 00 00 D0 5F 7C E9 AD 02 00 00 
{259} normal block at 0x000002ADE7971920, 16 bytes long.
 Data: <0j&#151;&#231;&#173;           > 30 6A 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002ADE79712E0, 16 bytes long.
 Data: < j&#151;&#231;&#173;           > 08 6A 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002ADE79705F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002ADE7971E20, 16 bytes long.
 Data: <&#224;i&#151;&#231;&#173;           > E0 69 97 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002ADE79769E0, 992 bytes long.
 Data: <  &#151;&#231;&#173;   &#240; &#151;&#231;&#173;   > 20 1E 97 E7 AD 02 00 00 F0 05 97 E7 AD 02 00 00 
{91} normal block at 0x000002ADE7970770, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002ADE7971E70, 16 bytes long.
 Data: <&#160;&#220;&#149;&#231;&#173;           > A0 DC 95 E7 AD 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002ADE795DCA0, 40 bytes long.
 Data: <p &#151;&#231;&#173;   p &#151;&#231;&#173;   > 70 1E 97 E7 AD 02 00 00 70 07 97 E7 AD 02 00 00 
{68} normal block at 0x000002ADE7971C90, 16 bytes long.
 Data: < &#234;&#140; &#247;           > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002ADE7971560, 16 bytes long.
 Data: <@&#233;&#140; &#247;           > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002ADE7971DD0, 16 bytes long.
 Data: <&#248;W&#137; &#247;           > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002ADE79713D0, 16 bytes long.
 Data: <&#216;W&#137; &#247;           > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002ADE7971510, 16 bytes long.
 Data: <P &#137; &#247;           > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002ADE7971380, 16 bytes long.
 Data: <0 &#137; &#247;           > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002ADE7971420, 16 bytes long.
 Data: <&#224; &#137; &#247;           > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002ADE7971C40, 16 bytes long.
 Data: <  &#137; &#247;           > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002ADE79710B0, 16 bytes long.
 Data: <p &#137; &#247;           > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002ADE7971BF0, 16 bytes long.
 Data: < &#192;&#135; &#247;           > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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